1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine

C16H20ClF3N2 — CID 171180022

IUPAC1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine
SMILESFC(F)(F)c1cc([C@H](C2CCC2)N2CCNCC2)ccc1Cl
InChIInChI=1S/C16H20ClF3N2/c17-14-5-4-12(10-13(14)16(18,19)20)15(11-2-1-3-11)22-8-6-21-7-9-22/h4-5,10-11,15,21H,1-3,6-9H2/t15-/m0/s1
InChIKeyYFJQAVKGQPAVGT-HNNXBMFYSA-N
MW332.80 g/mol
LogP4.11
Rot. Bonds3

About 1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine

1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine (PubChem CID 171180022) has the molecular formula C16H20ClF3N2 and a molecular weight of 332.80 g/mol. Its IUPAC name is 1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine
PubChem CID171180022
Molecular FormulaC16H20ClF3N2
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine
SMILESFC(F)(F)c1cc([C@H](C2CCC2)N2CCNCC2)ccc1Cl
InChIInChI=1S/C16H20ClF3N2/c17-14-5-4-12(10-13(14)16(18,19)20)15(11-2-1-3-11)22-8-6-21-7-9-22/h4-5,10-11,15,21H,1-3,6-9H2/t15-/m0/s1
InChIKeyYFJQAVKGQPAVGT-HNNXBMFYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclopentyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine
CID 171171716
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(S)-(3-chloro-4-fluorophenyl)-cyclobutylmethyl]piperazine;hydrochloride
CID 171178825
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(S)-cyclohexyl-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 171280105
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171279186
1-[(S)-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine;hydrochloride
CID 171180441
1-[(S)-cyclobutyl-[4-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171178431
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165445
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
1-[(S)-cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179871
1-[(S)-(3-chloro-4-fluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171163414

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine?
The IUPAC name of 1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine (CID 171180022) is 1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine?
The canonical SMILES for 1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine is FC(F)(F)c1cc([C@H](C2CCC2)N2CCNCC2)ccc1Cl.
What is the InChIKey of 1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine?
The InChIKey is YFJQAVKGQPAVGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClF3N2/c17-14-5-4-12(10-13(14)16(18,19)20)15(11-2-1-3-11)22-8-6-21-7-9-22/h4-5,10-11,15,21H,1-3,6-9H2/t15-/m0/s1.
What are the key properties of 1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine?
1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine has a molecular weight of 332.80 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[4-chloro-3-(trifluoromethyl)phenyl]-cyclobutylmethyl]piperazine is sourced from PubChem (CID 171180022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).